Geometry & MOs

Info

ID:	165005
PubChem CID:	74482443
Reduced:	S2N3O5H20C23 (1)
Stoich.:	A2B3C5D20E23 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	7.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.055947
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC2=C(C(=O)[NH+]3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCC(=O)O)C

DOS

IR

Vibrations